2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide

C20H24N2OS — CID 4877804

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C20H24N2OS/c1-16(11-12-17-7-3-2-4-8-17)21-20(23)15-22-13-14-24-19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyPONSHDDSJATREK-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.74
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4877804) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4877804
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C20H24N2OS/c1-16(11-12-17-7-3-2-4-8-17)21-20(23)15-22-13-14-24-19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyPONSHDDSJATREK-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 22577582
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8591952
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 33417803
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
methyl 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetyl]amino]benzoate
CID 8591972
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 4877804) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN1CCSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is PONSHDDSJATREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16(11-12-17-7-3-2-4-8-17)21-20(23)15-22-13-14-24-19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 340.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4877804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).